2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid
TL;DR: 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid (CAS 312939-81-4) is a chemical compound with molecular formula C21H16BrNO5S and molecular weight 472.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]benzoic acid
Also Known As: 2-((4-(4-bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid, 2-[[4-(4-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]benzoic acid, 2-[[4-(4-bromophenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]benzoic Acid, 2-{[4-(4-bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}benzoic acid
| Molecular Formula | C21H16BrNO5S |
|---|---|
| Molecular Weight | 472.99 g/mol |
| LogP | 5.3048 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.99326 |
| Heavy Atoms | 29 |
| Complexity | 1074.9304 |
Chemical Identifiers
| CAS Number | 312939-81-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid (CAS 312939-81-4), with molecular formula C21H16BrNO5S and molecular weight 472.99 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid
Property Insights of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid
The XLogP value of 5.3048 indicates that 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid. Following Lipinski's Rule of Five, 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid?
The CAS number of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid is 312939-81-4.
What is the molecular formula of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid?
The molecular formula of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid is C21H16BrNO5S.
What is the molecular weight of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid?
The molecular weight of 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid is 472.99 g/mol.
Where can I buy 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid?
You can request a quote for 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-Bromophenyl)-3-(ethoxycarbonyl)thiophen-2-yl)carbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.